SCHEMBL13831

SCHEMBL13831

NC(=O)Nc1cc(F)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.51
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
ALDH1A1 P00352 1/20 0.43
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ROCK2 O75116 1/20 0.38
HTT P42858 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30682783 1.00 KIF11 (0.51) KIF11CA1CA2CA9CA12
SCHEMBL8859930 0.84 KIF11 (0.63) KIF11CA1CA2CA9CA12
SCHEMBL22279550 0.81 CA1 (0.59) CA1CA2CA9CA12ALDH1A1
SCHEMBL7542359 0.79 STING1 (0.48) KIF11MAPTKMT2AMEN1
SCHEMBL14716172 0.79 CA12 (0.45) CA1CA2CA9CA12ALDH1A1
SCHEMBL1645001 0.77 HDAC1 (0.53) CA1CA2CA9CA12ALDH1A1
SCHEMBL28913596 0.77 L3MBTL1 (0.41) CA1CA2CA9CA12ALDH1A1
SCHEMBL20560725 0.77 CA12 (0.44) CA1CA2CA9CA12ALDH1A1
SCHEMBL30343207 0.77 KIF11 (0.65) KIF11ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2367225 0.77 KIF11 (0.65) KIF11ALDH1A1RAB9ANPC1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-3013798-B1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BEIGENE LTD (KY) 2018-06-27 EP disclosed
WO-2014206343-A1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BEIGENE, LTD. (GB) 2014-12-31 WO disclosed
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 CN disclosed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
US-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-06-24 US disclosed
EP-2032546-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY Astra Zeneca AB (SE) 2009-03-11 EP disclosed
WO-2007141538-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007141538-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY ASTRAZENECA AB (SE) 2007-12-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY DGAT1, ACAT1, DGAT2 KIF11 3266/4885CA1 3357/4885CA2 2565/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.